0 B12R0.248 C=CCCCCCCCC(=O)OC MCULE-1843303649 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.248 CNCCCCCCCC(=O)OC MCULE-2073535841 [0,0,0,0,0,0|1,0,3]=4 3 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.40 CCCCC/C=C/CC(=O)OC MCULE-2579151246 [1,0,0,0,0,0|0,0,2]=3 5 B11R0.40 CCCCCCCCC(=O)OC MCULE-4760106079 [1,0,0,0,0,0|0,0,3]=4 6 B11R0.40 COC(=O)CCCCCCC=O MCULE-8693929860 [1,0,0,0,0,0|1,0,2]=4 7 B11R0.40 COCCCNCCC(=O)OC MCULE-4020268298 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.148 CCC=CCC=CCCC(=O)O MCULE-4088771773 [1,0,0,0,0,0|0,0,2]=3 9 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [1,0,0,0,0,0|0,0,2]=3 10 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [1,0,0,0,0,0|0,0,2]=3 11 B13R0.2 C(=CCCC(=O)OCC)CCCCC MCULE-7720982156 [0,1,0,0,0,0|0,0,2]=3 12 B13R0.2 CCCCC/C=C/CCC(=O)OCC MCULE-2528964118 [0,1,0,0,0,0|0,0,2]=3 13 B13R0.201 COC(=O)CCCCCCC(=O)OC MCULE-3000822003 [0,1,0,0,0,0|1,0,2]=4 14 B13R0.201 COC(=O)CCSSCCC(=O)OC MCULE-9290153031 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.528 COC(=O)CCC1=C(C=CC=C1)Br MCULE-5804791554 [0,0,0,1,0,0|1,0,2]=4 16 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O MCULE-9685325534 [0,0,0,1,0,0|1,0,2]=4 17 B13R1.528 COC(=O)CCC1=CC=CC=C1Cl MCULE-9629364932 [0,0,0,1,0,0|1,0,2]=4 18 B13R1.528 COC(=O)CCC1=CC=CC=C1F MCULE-7775567242 [0,0,0,1,0,0|1,0,2]=4 19 B13R1.528 COC(=O)CCC1=CC=CC=C1N MCULE-9770165708 [0,0,0,1,0,0|1,0,2]=4 20 B13R1.528 COC(=O)CNC1=C(C=CC=C1)C MCULE-3184859260 [0,0,0,1,0,0|1,0,2]=4 21 B13R1.528 COC(=O)COC1=C(C=CC=C1)C MCULE-5893648010 [0,0,0,1,0,0|1,0,2]=4 22 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [2,0,0,0,0,0|0,0,2]=4 23 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [2,0,0,0,0,0|0,0,2]=4 24 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [2,0,0,0,0,0|0,0,2]=4 25 B10R0.4 C=CCCCCCCC(=O)C MCULE-3952725967 [2,0,0,0,0,0|0,0,2]=4 26 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [2,0,0,0,0,0|0,0,2]=4 27 B10R0.4 CCCC/C=C/COC(=O)C MCULE-5121036018 [2,0,0,0,0,0|1,0,1]=4 28 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [2,0,0,0,0,0|0,0,2]=4 29 B10R0.4 CCCCC=CCOC(=O)C MCULE-9678532361 [2,0,0,0,0,0|1,0,1]=4 30 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [2,0,0,0,0,0|0,0,2]=4 31 B10R0.74 CCC/C=C/COC(=O)CC MCULE-3426297748 [2,0,0,0,0,0|2,0,0]=4 32 B10R0.74 CCCC=CCOC(=O)CC MCULE-1078471467 [2,0,0,0,0,0|2,0,0]=4 33 B10R0.74 CCCCC/C=C/C(=O)OC MCULE-1812424019 [2,0,0,0,0,0|0,0,2]=4 34 B10R0.74 CCCCCC=CC(=O)OC MCULE-3787684558 [2,0,0,0,0,0|0,0,2]=4 35 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [2,0,0,0,0,0|0,0,2]=4 36 B10R0.74 COC(=O)CCCCCC=O MCULE-1071696685 [2,0,0,0,0,0|1,0,1]=4 37 B10R0.74 COCCNCCC(=O)OC MCULE-2355570615 [2,0,0,0,0,0|2,0,0]=4 38 B10R0.74 COCCOCCC(=O)OC MCULE-5131212223 [2,0,0,0,0,0|2,0,0]=4 39 B12R0.183 COC(=O)CCCCCC(=O)OC MCULE-4367657579 [1,1,0,0,0,0|1,0,1]=4 40 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-8864984762 [1,1,0,0,0,0|2,0,0]=4 41 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-9314655557 [1,1,0,0,0,0|2,0,0]=4 42 B12R0.183 COC(=O)CCSCCC(=O)OC MCULE-8773115535 [1,1,0,0,0,0|2,0,0]=4 43 B12R0.184 COC(=O)CCCCCOC(=O)C MCULE-6683368772 [1,1,0,0,0,0|1,0,1]=4 44 B14R0.337 CCCCCC=CCCC=CC(=O)OC MCULE-5740536964 [0,2,0,0,0,0|0,0,2]=4 45 B14R0.304 C=C(CC)CCC=C(C)CCC=C(C)C MCULE-9146444464 [0,2,0,0,0,0|2,0,0]=4 46 B14R0.304 CCC(=O)OC/C=C(\C)/CCC=C(C)C MCULE-3380985316 [0,2,0,0,0,0|2,0,0]=4 47 B14R0.304 CCC(=O)OCC=C(C)CCC=C(C)C MCULE-5918107257 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.550 C1=CCCC=CCCC=CCC1 MCULE-8167844050 [1,0,0,1,0,0|1,0,0]=3 49 B12R1.27 COC(=O)CCC1=CC=CC=C1 MCULE-1647522263 [1,0,0,1,0,0|0,0,2]=4 50 B12R1.27 COC(=O)CCC1=CC=NC=C1 MCULE-1070035261 [1,0,0,1,0,0|1,0,1]=4 51 B12R1.27 COC(=O)CCC1=CN=CC=C1 MCULE-8699627407 [1,0,0,1,0,0|1,0,1]=4 52 B12R1.27 COC(=O)CCC1=NC=CC=C1 MCULE-2350215112 [1,0,0,1,0,0|1,0,1]=4 53 B12R1.27 COC(=O)CCC1=NC=CN=C1 MCULE-3200681560 [1,0,0,1,0,0|2,0,0]=4 54 B12R1.371 COC(=O)CC1=CC=CC=C1C MCULE-5660843649 [1,0,0,1,0,0|0,0,2]=4 55 B12R1.371 COC(=O)C[N+]1=C(C=CC=C1)C MCULE-5067327695 [1,0,0,1,0,0|1,0,1]=4 56 B12R1.371 COC(=O)C[N+]1=C(C=CC=C1)C MCULE-6070545457 [1,0,0,1,0,0|1,0,1]=4 57 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O MCULE-1863841147 [1,0,0,1,0,0|0,0,2]=4 58 B12R1.125 CC1=C(C=CN=C1)CCC(=O)O MCULE-7877508148 [1,0,0,1,0,0|1,0,1]=4 59 B12R1.125 CC1=C(C=NC=C1)CCC(=O)O MCULE-5337466065 [1,0,0,1,0,0|1,0,1]=4 60 B12R1.125 O=C(O)CCC1=CCCCC1=O MCULE-7543238538 [1,0,0,1,0,0|1,0,1]=4 61 B12R1.252 CC(=O)CCC=C1CCCCC1 MCULE-1076445196 [1,0,0,1,0,0|0,0,2]=4 62 B12R1.252 O=C(O)CCCC1=CCC=CC1 MCULE-7532829438 [1,0,0,1,0,0|0,0,2]=4 63 B14R1.598 CCOC(=O)CCC1=CC=CC=C1C MCULE-2919283541 [0,1,0,1,0,0|0,0,2]=4 64 B14R1.727 COC(=O)CCC1=CC=C(C=C1C)O MCULE-5404010783 [0,1,0,1,0,0|0,0,2]=4 65 B14R1.837 COC(=O)CCNC1=C(C=CC=C1)C MCULE-2268120084 [0,1,0,1,0,0|0,0,2]=4 66 B14R1.837 COC(=O)CNCC1=C(C=CC=C1)C MCULE-6040029053 [0,1,0,1,0,0|0,0,2]=4 67 B14R1.837 COC(=O)CNCC1=C(C=CC=C1)C MCULE-8525834055 [0,1,0,1,0,0|0,0,2]=4 68 B14R1.837 COC(=O)CSCC1=CC=CC=C1C MCULE-1565306220 [0,1,0,1,0,0|0,0,2]=4 69 B14R1.863 COC(=O)CCC1=C(C=CN=C1)OC MCULE-5063990274 [0,1,0,1,0,0|1,0,1]=4 70 B14R1.863 COC(=O)CCC1=CC=CC=C1OC MCULE-2115736491 [0,1,0,1,0,0|0,0,2]=4 71 B14R1.746 COC(=O)C1CC=CCC1C(=O)OC MCULE-9108670901 [0,1,0,1,0,0|1,0,0]=3 72 B14R1.746 COC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC MCULE-7688397006 [0,1,0,1,0,0|1,0,0]=3 73 B14R1.746 COC(=O)[C@H]1CC=CC[C@H]1C(=O)OC MCULE-8220415981 [0,1,0,1,0,0|1,0,0]=3 74 B14R1.746 [C@H]1(CC=CC[C@H]1C(=O)OC)C(=O)OC MCULE-4264397804 [0,1,0,1,0,0|1,0,0]=3 75 B14R1.587 COC(=O)CC(N)C1=C(C=CC=C1)C MCULE-3190946675 [0,1,0,1,0,0|0,0,2]=4 76 B14R1.587 COC(=O)CC(N)C1=C(C=CC=C1)C MCULE-7157518258 [0,1,0,1,0,0|0,0,2]=4 77 B14R1.587 COC(=O)CC(O)C1=C(C=CC=C1)C MCULE-5962924677 [0,1,0,1,0,0|0,0,2]=4 78 B14R1.587 COC(=O)C[C@@H](N)C1=CC=CC=C1C MCULE-1543636546 [0,1,0,1,0,0|0,0,2]=4 79 B14R1.587 COC(=O)C[C@@H](N)C1=CC=CC=C1C MCULE-6001329568 [0,1,0,1,0,0|0,0,2]=4 80 B14R1.587 COC(=O)C[C@H](N)C1=C(C=CC=C1)C MCULE-1211536186 [0,1,0,1,0,0|0,0,2]=4 81 B14R1.587 COC(=O)C[C@H](N)C1=CC=CC=C1C MCULE-3734801025 [0,1,0,1,0,0|0,0,2]=4 82 B14R1.587 COC(=O)C[C@H](N)C1=CC=CC=C1C MCULE-5803891568 [0,1,0,1,0,0|0,0,2]=4 83 B14R1.587 COC(=O)C[C@H](N)C1=CC=CC=C1C MCULE-9300707644 [0,1,0,1,0,0|0,0,2]=4 84 B14R1.1007 COC(=O)C(N)CC1=CC=CC=C1C MCULE-6261022221 [0,1,0,1,0,0|0,0,2]=4 85 B14R1.1007 COC(=O)[C@@H](N)CC1=CC=CC=C1C MCULE-6580842554 [0,1,0,1,0,0|0,0,2]=4 86 B14R1.1007 COC(=O)[C@@H](N)CC1=CC=CC=C1C MCULE-8877110117 [0,1,0,1,0,0|0,0,2]=4 87 B14R1.1007 COC(=O)[C@@H](N)CC1=CC=CC=C1C MCULE-9918948220 [0,1,0,1,0,0|0,0,2]=4 88 B14R1.1007 COC(=O)[C@H](N)CC1=C(C=CC=C1)C MCULE-9425702088 [0,1,0,1,0,0|0,0,2]=4 89 B14R1.4461 COC(=O)CCC(=O)C1=C(C=CS1)C MCULE-2090929556 [0,1,0,1,0,0|1,0,1]=4 90 B14R2.972 COC(=O)C1CC2=CC=CC=C2C1 MCULE-9205172448 [0,0,0,2,0,0|0,0,2]=4